[6-[(dimethylamino)methyl]-2-pyridinyl]phosphonic acid

C8H13N2O3P — CID 166148102

IUPAC[6-[(dimethylamino)methyl]-2-pyridinyl]phosphonic acid
SMILESCN(C)Cc1cccc(P(=O)(O)O)n1
InChIInChI=1S/C8H13N2O3P/c1-10(2)6-7-4-3-5-8(9-7)14(11,12)13/h3-5H,6H2,1-2H3,(H2,11,12,13)
InChIKeyKRWRLCFAYAGNJB-UHFFFAOYSA-N
MW216.18 g/mol
LogP-0.05
Rot. Bonds3

About [6-[(dimethylamino)methyl]-2-pyridinyl]phosphonic acid

[6-[(dimethylamino)methyl]-2-pyridinyl]phosphonic acid (PubChem CID 166148102) has the molecular formula C8H13N2O3P and a molecular weight of 216.18 g/mol. Its IUPAC name is [6-[(dimethylamino)methyl]-2-pyridinyl]phosphonic acid.

Molecular Properties

Compound Name[6-[(dimethylamino)methyl]-2-pyridinyl]phosphonic acid
PubChem CID166148102
Molecular FormulaC8H13N2O3P
Molecular Weight216.18 g/mol
Exact Mass216.07
IUPAC Name[6-[(dimethylamino)methyl]-2-pyridinyl]phosphonic acid
SMILESCN(C)Cc1cccc(P(=O)(O)O)n1
InChIInChI=1S/C8H13N2O3P/c1-10(2)6-7-4-3-5-8(9-7)14(11,12)13/h3-5H,6H2,1-2H3,(H2,11,12,13)
InChIKeyKRWRLCFAYAGNJB-UHFFFAOYSA-N
XLogP-0.05
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[6-[(dimethylamino)methyl]-2-pyridinyl]methanol
CID 15592300
ethane;methyl-[6-(methylaminomethyl)-2-pyridinyl]phosphinic acid
CID 166148087
[6-[[4,7-bis[[6-[hydroxy(methyl)phosphoryl]-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-2-pyridinyl]-methylphosphinic acid
CID 102293149
6-[(dimethylamino)methyl]pyridine-2-carbonitrile
CID 18953890
tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
CID 178156276
6-bromopyridine-2-carbaldehyde;1-(6-bromo-2-pyridinyl)-N,N-dimethylmethanamine
CID 162168476
6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904183
[2-[(dimethylamino)methyl]quinolin-8-yl]carbamic acid
CID 155227462
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951
[6-[[hydroxy(methoxy)phosphoryl]methyl]-2-pyridinyl]methyl-methoxyphosphinic acid
CID 58708679
ethane;N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 143432699
disodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride
CID 174826908

Frequently Asked Questions

What is the IUPAC name of [6-[(dimethylamino)methyl]-2-pyridinyl]phosphonic acid?
The IUPAC name of [6-[(dimethylamino)methyl]-2-pyridinyl]phosphonic acid (CID 166148102) is [6-[(dimethylamino)methyl]-2-pyridinyl]phosphonic acid.
What is the SMILES notation for [6-[(dimethylamino)methyl]-2-pyridinyl]phosphonic acid?
The canonical SMILES for [6-[(dimethylamino)methyl]-2-pyridinyl]phosphonic acid is CN(C)Cc1cccc(P(=O)(O)O)n1.
What is the InChIKey of [6-[(dimethylamino)methyl]-2-pyridinyl]phosphonic acid?
The InChIKey is KRWRLCFAYAGNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2O3P/c1-10(2)6-7-4-3-5-8(9-7)14(11,12)13/h3-5H,6H2,1-2H3,(H2,11,12,13).
What are the key properties of [6-[(dimethylamino)methyl]-2-pyridinyl]phosphonic acid?
[6-[(dimethylamino)methyl]-2-pyridinyl]phosphonic acid has a molecular weight of 216.18 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(dimethylamino)methyl]-2-pyridinyl]phosphonic acid is sourced from PubChem (CID 166148102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).